NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3220 8.1127 119.7064 56.4237 32.6311 177.3445 2 M 3.8414 7.9979 117.3844 57.9388 32.1783 176.5060 3 K 3.9412 8.8305 119.5133 59.5971 32.6080 178.6410 4 Q 4.0019 8.0206 117.6729 59.0219 28.6901 178.6795 5 L 3.9787 8.1961 120.1740 57.8863 41.6158 179.3979 6 E 3.9501 8.5711 118.9019 59.2570 29.2560 178.6684 7 D 4.3339 8.1242 118.0613 57.5989 41.3097 178.6915 8 K 3.9606 8.2847 118.8626 59.4681 31.9525 179.4396 9 I 3.7104 7.9449 120.1483 64.4183 37.0085 178.1167 10 E 3.9360 8.3634 120.1502 59.2584 29.4574 178.6250 11 E 3.9821 8.5107 118.9900 59.4886 29.4138 179.1578 12 N 4.3826 8.3330 116.4784 56.5961 38.5507 177.4842 13 T 3.8693 8.2546 117.5582 66.7254 68.5124 176.5861 14 S 4.0868 8.2951 114.9473 61.3645 62.3991 176.1976 15 K 4.0259 8.1700 121.1922 59.6750 31.7211 179.3515 16 I 3.7060 8.1167 120.1881 64.3708 37.0431 177.6812 17 Y 4.0310 8.2461 120.5195 61.2587 38.6146 178.1576 18 H 4.1247 8.2604 116.9421 58.8549 28.7871 177.5694 19 N 4.3384 8.4965 118.6047 56.5780 38.3533 177.4625 20 T 3.8353 8.2024 117.5133 66.7964 68.5326 176.3827 21 N 4.2404 7.7328 117.8185 56.1223 38.4822 177.1815 22 E 3.9056 8.1268 120.7974 59.1891 29.7488 178.7454 23 I 3.6455 8.1618 120.1134 64.4548 37.2154 178.1325 24 A 3.9918 7.9686 121.4042 55.1048 18.1585 179.6467 25 R 3.8042 7.9911 117.0756 59.7141 30.1378 178.4949 26 N 4.3256 8.2691 116.2628 56.5792 38.2909 177.3881 27 T 3.8332 8.0939 116.4873 66.6133 68.8630 176.1957 28 K 4.0862 8.0787 121.3156 59.5797 32.0451 178.9501 29 L 4.0659 7.8906 118.0687 57.4724 41.5960 179.2121 30 V 4.0227 7.9367 110.9245 61.6883 31.9542 176.8414 31 G 3.8371 6.9814 107.2343 45.1006 0.0000 173.6792 32 E 4.1801 8.5138 118.1307 56.3999 29.6518 176.7377 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 R 8.11 4.32 0.00 1.86 2.05 0.00 3.26 0.00 0.00 3.33 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 2 M 8.00 3.84 0.00 2.16 2.05 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.82 0.00 3 K 8.83 3.94 0.00 1.80 1.84 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.48 7.81 4 Q 8.02 4.00 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 5 L 8.20 3.98 0.00 1.82 1.72 0.92 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.57 3.95 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.59 0.00 7 D 8.12 4.33 0.00 2.91 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.28 3.96 0.00 1.98 1.85 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.61 7.81 9 I 7.94 3.71 2.02 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.86 0.91 0.00 0.00 10 E 8.36 3.94 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 11 E 8.51 3.98 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.53 0.00 12 N 8.33 4.38 0.00 2.93 2.87 0.00 0.00 7.01 6.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 T 8.25 3.87 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 14 S 8.30 4.09 0.00 3.89 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.17 4.03 0.00 2.05 1.89 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.67 7.81 16 I 8.12 3.71 2.06 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.81 0.93 0.00 0.00 17 Y 8.25 4.03 0.00 3.08 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 H 8.26 4.12 0.00 3.29 3.34 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 N 8.50 4.34 0.00 2.90 2.86 0.00 0.00 7.02 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 T 8.20 3.84 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 21 N 7.73 4.24 0.00 2.70 2.74 0.00 0.00 6.68 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.13 3.91 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 23 I 8.16 3.65 1.98 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.49 0.89 0.00 0.00 24 A 7.97 3.99 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 R 7.99 3.80 0.00 1.88 2.10 0.00 3.09 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 26 N 8.27 4.33 0.00 2.91 2.84 0.00 0.00 7.08 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.09 3.83 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 28 K 8.08 4.09 0.00 1.83 1.97 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.47 7.81 29 L 7.89 4.07 0.00 1.66 1.71 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.94 4.02 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 1.00 0.00 0.00 31 G 6.98 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.51 4.18 0.00 1.96 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.23 0.00